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Malyngamide C

View entire compound with spectra: 1 MS (GC)

Malyngamide C
SpectraBase Compound ID 1Ej5DdEHNEf
InChI InChI=1S/C26H40ClNO6/c1-4-5-6-7-9-12-21(32-3)13-10-8-11-14-24(31)28-18-20(17-27)26-23(30)16-15-22(25(26)34-26)33-19(2)29/h8,10,17,21-22,25H,4-7,9,11-16,18H2,1-3H3,(H,28,31)/b10-8+,20-17-/t21-,22-,25-,26+/m0/s1
InChIKey UADSYHULFVDMCJ-HFNSIDMNSA-N
Mol Weight 498.1 g/mol
Molecular Formula C26H40ClNO6
Exact Mass 497.254416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BXu9yi9YQs
Name Malyngamide C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40ClNO6
InChI InChI=1S/C26H40ClNO6/c1-4-5-6-7-9-12-21(32-3)13-10-8-11-14-24(31)28-18-20(17-27)26-23(30)16-15-22(25(26)34-26)33-19(2)29/h8,10,17,21-22,25H,4-7,9,11-16,18H2,1-3H3,(H,28,31)/b10-8+,20-17-/t21-,22-,25-,26+/m0/s1
InChIKey UADSYHULFVDMCJ-HFNSIDMNSA-N
Molecular Weight 498.060 g/mol
SMILES N(C(=O)CC\C=C\C[C@@](OC)(CCCCCCC)[H])C\C([C@@]12[C@]([C@@](OC(=O)C)(CCC2=O)[H])(O1)[H])=C\Cl
SPLASH splash10-014i-9300000000-ae2e590679eba8a87e88
Source of Spectrum X2-53-859-59
Synonyms (1S,2S,6S)-6-[(Z)-2-chloro-1-({[(4E,7S)-7-methoxy-4-tetradecenoyl]amino}methyl)ethenyl]-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl acetate Acetic acid[(1S,2S,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxy-1-oxotetradec-4-enyl]amino]prop-1-en-2-yl]-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]ester Acetic acid[(1S,2S,6S)-6-[(Z)-2-chloro-1-[[[(E,7S)-7-methoxytetradec-4-enoyl]amino]methyl]vinyl]-5-keto-7-oxabicyclo[4.1.0]heptan-2-yl]ester N-[3'-Chloro-2'-(1'',2''-epoxy-3''-acetoxy-6''-oxocyclohexyl)-2'-propenyl]-7-methoxytetradec-4-enoyl Amide [(1S,2S,6S)-6-[(Z)-1-chloranyl-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-5-oxidanylidene-7-oxabicyclo[4.1.0]heptan-2-yl]ethanoate [(1S,2S,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]acetate [(1S,2S,6S)-6-[(Z)-2-chloro-1-[[[(E,7S)-7-methoxytetradec-4-enoyl]amino]methyl]vinyl]-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]acetate Acetic acid [(1S,2S,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxy-1-oxotetradec-4-enyl]amino]prop-1-en-2-yl]-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl] ester [(1S,2S,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl] acetate [(1S,2S,6S)-6-[(Z)-2-chloro-1-[[[(E,7S)-7-methoxytetradec-4-enoyl]amino]methyl]vinyl]-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl] acetate [(1S,2S,6S)-6-[(Z)-1-chloranyl-3-[[(E,7S)-7-methoxytetradec-4-enoyl]amino]prop-1-en-2-yl]-5-oxidanylidene-7-oxabicyclo[4.1.0]heptan-2-yl] ethanoate
Wiley ID 1603650